1-[3-(4-methylphenyl)sulfanylpropyl]-7H-purine-6-thione

Systemtic Name: 1-[3-(4-methylphenyl)sulfanylpropyl]-7H-purine-6-thione Openeye Name: 1-[3-(p-tolylsulfanyl)propyl]-7H-purine-6-thione CAS Name: 1-[3-[(4-methylphenyl)thio]propyl]-7H-purine-6-thione IUPAC Name: 1-[3-(4-methylphenyl)sulfanylpropyl]-7H-purine-6-thione Traditional Name: 1-[3-(p-tolylthio)propyl]-7H-purine-6-thione Formula: C15H16N4S2 MolecularWeight: 316.44434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCN2C=NC3=C(C2=S)NC=N3

Isomeric SMILES

CC1=CC=C(C=C1)SCCCN2C=NC3=C(C2=S)NC=N3

InChI

InChI=1S/C15H16N4S2/c1-11-3-5-12(6-4-11)21-8-2-7-19-10-18-14-13(15(19)20)16-9-17-14/h3-6,9-10H,2,7-8H2,1H3,(H,16,17)